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N2,N2,N4,N4,N6,N6-hexamethyl-1,3,5-triazine-2,4,6-triamine
N2,N2,N4,N4,N6,N6-hexamethyl-1,3,5-triazine-2,4,6-triamine ID: AN-47064
CAS:645-05-6
Supplier:AN PharmaTech Co Ltd

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SMILES:N(c1nc(N(C)C)nc(N(C)C)n1)(C)C	2123
FORMULA: C9H18N6
MASS: 210.2794
EXACT MASS: 210.1592946
INTERATOMIC DISTANCES

              N   1      N   2      N   3      N   4      N   5      N   6
              ------------------------------------------------------------------
   N   1    0.0000 
   N   2    3.4641     0.0000 
   N   3    3.4641     3.4641     0.0000 
   N   4    1.7321     1.7320     3.0000     0.0000 
   N   5    1.7320     3.0000     1.7321     1.7321     0.0000 
   N   6    3.0000     1.7320     1.7320     1.7320     1.7321     0.0000 
   C   7    1.0000     2.6458     2.6458     1.0001     1.0000     2.0000 
   C   8    2.6458     1.0000     2.6457     1.0000     2.0000     1.0000 
   C   9    2.6458     2.6457     1.0000     2.0000     1.0001     1.0000 
   C  10    1.0000     4.3589     3.6056     2.6458     2.0000     3.6055 
   C  11    1.0000     3.6055     4.3589     2.0000     2.6457     3.6056 
   C  12    4.3590     1.0001     3.6056     2.6458     3.6056     2.0000 
   C  13    3.6055     1.0000     4.3589     2.0000     3.6056     2.6457 
   C  14    4.3589     3.6055     1.0000     3.6055     2.6458     2.0000 
   C  15    3.6055     4.3589     1.0001     3.6056     2.0000     2.6458 
   H  16    1.1766     4.1517     3.0148     2.5121     1.4955     3.1879 
   H  17    4.2047     4.6403     1.1766     4.0750     2.5558     2.9083 
   H  18    3.8242     4.9340     1.6200     4.0601     2.3716     3.2380 
   H  19    3.0148     4.1517     1.1767     3.1880     1.4956     2.5121 
   H  20    4.1517     3.0148     1.1766     3.1879     2.5121     1.4956 
   H  21    4.9340     3.8242     1.6199     4.0601     3.2380     2.3716 
   H  22    4.6403     4.2047     1.1766     4.0750     2.9083     2.5558 
   H  23    3.0148     1.1766     4.1517     1.4955     3.1879     2.5121 
   H  24    3.8242     1.6200     4.9340     2.3715     4.0601     3.2380 
   H  25    4.2047     1.1766     4.6402     2.5558     4.0751     2.9083 
   H  26    4.6403     1.1767     4.2047     2.9083     4.0751     2.5558 
   H  27    4.9340     1.6200     3.8242     3.2380     4.0602     2.3716 
   H  28    4.1518     1.1766     3.0148     2.5121     3.1880     1.4956 
   H  29    1.1766     4.2047     4.6403     2.5559     2.9083     4.0751 
   H  30    1.6200     3.8242     4.9340     2.3716     3.2380     4.0601 
   H  31    1.1766     3.0148     4.1517     1.4956     2.5121     3.1879 
   H  32    1.6199     4.9339     3.8242     3.2380     2.3715     4.0601 
   H  33    1.1766     4.6402     4.2047     2.9083     2.5557     4.0750 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.7321     1.7320     0.0000 
   C  10    1.7320     3.4641     3.0000     0.0000 
   C  11    1.7320     3.0000     3.4641     1.7320     0.0000 
   C  12    3.4642     1.7321     3.0000     5.1962     4.5826     0.0000 
   C  13    3.0000     1.7320     3.4641     4.5826     3.4641     1.7321 
   C  14    3.4641     3.0000     1.7320     4.5826     5.1962     3.4641 
   C  15    3.0000     3.4641     1.7321     3.4641     4.5826     4.5827 
   H  16    1.5200     3.1995     2.4825     0.6200     2.1114     4.9156 
   H  17    3.5505     3.8121     2.1114     4.0840     5.1724     4.7391 
   H  18    3.3533     4.0130     2.2901     3.5191     4.8212     5.1928 
   H  19    2.4825     3.1995     1.5201     2.8441     4.0019     4.5068 
   H  20    3.1995     2.4825     1.5200     4.5067     4.9156     2.8442 
   H  21    4.0130     3.3533     2.2900     5.1927     5.7415     3.5192 
   H  22    3.8121     3.5505     2.1114     4.7390     5.5322     4.0841 
   H  23    2.4825     1.5200     3.1995     4.0019     2.8441     2.1115 
   H  24    3.3533     2.2901     4.0130     4.8212     3.5191     2.2901 
   H  25    3.5505     2.1114     3.8121     5.1724     4.0841     1.5201 
   H  26    3.8122     2.1115     3.5505     5.5323     4.7391     0.6200 
   H  27    4.0131     2.2901     3.3533     5.7415     5.1928     0.6200 
   H  28    3.1996     1.5201     2.4825     4.9156     4.5068     0.6200 
   H  29    2.1114     3.5505     3.8121     1.5200     0.6200     5.1725 
   H  30    2.2901     3.3533     4.0131     2.2901     0.6200     4.8213 
   H  31    1.5200     2.4825     3.1995     2.1114     0.6200     4.0019 
   H  32    2.2900     4.0130     3.3533     0.6200     2.2900     5.7415 
   H  33    2.1114     3.8121     3.5505     0.6200     1.5200     5.5323 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    4.5826     0.0000 
   C  15    5.1962     1.7321     0.0000 
   H  16    4.5067     4.0019     2.8441     0.0000 
   H  17    5.5322     1.5201     0.6200     3.4641     0.0000 
   H  18    5.7415     2.2901     0.6200     2.9109     0.8768     0.0000 
   H  19    4.9156     2.1115     0.6200     2.2241     1.2399     0.8768 
   H  20    4.0019     0.6200     2.1115     3.9636     2.0379     2.7145 
   H  21    4.8212     0.6200     2.2901     4.6167     1.9721     2.8059 
   H  22    5.1724     0.6200     1.5201     4.1339     1.1121     1.9721 
   H  23    0.6200     4.5067     4.9156     3.9635     5.3059     5.4278 
   H  24    0.6200     5.1927     5.7415     4.8187     6.1021     6.2700 
   H  25    0.6200     4.7390     5.5323     5.0675     5.8161     6.1021 
   H  26    1.5201     4.0841     5.1725     5.3060     5.3476     5.7779 
   H  27    2.2901     3.5192     4.8213     5.4278     4.9028     5.4400 
   H  28    2.1114     2.8442     4.0020     4.5762     4.1339     4.6167 
   H  29    4.0841     5.5323     4.7390     2.0379     5.3475     4.9027 
   H  30    3.5191     5.7415     5.1927     2.7145     5.7778     5.4400 
   H  31    2.8441     4.9156     4.5067     2.3520     5.0675     4.8188 
   H  32    5.1927     4.8212     3.5191     0.8768     4.1308     3.4641 
   H  33    4.7390     5.1724     4.0840     1.2399     4.7040     4.1309 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    2.3521     0.0000 
   H  21    2.7145     0.8768     0.0000 
   H  22    2.0379     1.2399     0.8768     0.0000 
   H  23    4.5762     3.9636     4.8188     5.0675     0.0000 
   H  24    5.4279     4.6167     5.4400     5.7778     0.8768     0.0000 
   H  25    5.3060     4.1339     4.9027     5.3475     1.2400     0.8768 
   H  26    5.0676     3.4641     4.1309     4.7041     2.0380     1.9722 
   H  27    4.8189     2.9109     3.4641     4.1309     2.7145     2.8059 
   H  28    3.9637     2.2242     2.9110     3.4641     2.3521     2.7145 
   H  29    4.1339     5.3060     6.1021     5.8161     3.4641     4.1309 
   H  30    4.6167     5.4279     6.2700     6.1021     2.9109     3.4641 
   H  31    3.9636     4.5762     5.4278     5.3059     2.2241     2.9109 
   H  32    2.9109     4.8188     5.4399     4.9027     4.6166     5.4399 
   H  33    3.4641     5.0675     5.7778     5.3475     4.1339     4.9027 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    1.1121     0.0000 
   H  27    1.9721     0.8768     0.0000 
   H  28    2.0379     1.2399     0.8768     0.0000 
   H  29    4.7041     5.3476     5.7779     5.0676     0.0000 
   H  30    4.1309     4.9028     5.4400     4.8188     0.8768     0.0000 
   H  31    3.4641     4.1340     4.6167     3.9636     1.2400     0.8768 
   H  32    5.7778     6.1022     6.2700     5.4278     1.9721     2.8059 
   H  33    5.3475     5.8162     6.1022     5.3060     1.1121     1.9721 

              H  31      H  32      H  33
              ---------------------------------
   H  31    0.0000 
   H  32    2.7144     0.0000 
   H  33    2.0379     0.8768     0.0000 



ATOMIC CHARGES
   N   1   -0.3055961733
   N   2   -0.3055961733
   N   3   -0.3055961733
   N   4   -0.1807435947
   N   5   -0.1807435947
   N   6   -0.1807435947
   C   7    0.2231850895
   C   8    0.2231850895
   C   9    0.2231850895
   C  10    0.0030507769
   C  11    0.0030507769
   C  12    0.0030507769
   C  13    0.0030507769
   C  14    0.0030507769
   C  15    0.0030507769
   H  16    0.0428421875
   H  17    0.0428421875
   H  18    0.0428421875
   H  19    0.0428421875
   H  20    0.0428421875
   H  21    0.0428421875
   H  22    0.0428421875
   H  23    0.0428421875
   H  24    0.0428421875
   H  25    0.0428421875
   H  26    0.0428421875
   H  27    0.0428421875
   H  28    0.0428421875
   H  29    0.0428421875
   H  30    0.0428421875
   H  31    0.0428421875
   H  32    0.0428421875
   H  33    0.0428421875


BOND ANGLES
   7    1   10  Car  Npl   C3    119.999
   7    1   11  Car  Npl   C3    120.001
  10    1   11   C3  Npl   C3    120.001
   8    2   12  Car  Npl   C3    120.001
   8    2   13  Car  Npl   C3    120.001
  12    2   13   C3  Npl   C3    119.998
   9    3   14  Car  Npl   C3    120.001
   9    3   15  Car  Npl   C3    119.998
  14    3   15   C3  Npl   C3    120.001
   7    4    8  Car  Nar  Car    120.001
   7    5    9  Car  Nar  Car    119.998
   8    6    9  Car  Nar  Car    120.001
   1    7    4  Npl  Car  Nar    120.001
   1    7    5  Npl  Car  Nar    120.001
   4    7    5  Nar  Car  Nar    119.998
   2    8    4  Npl  Car  Nar    119.999
   2    8    6  Npl  Car  Nar    120.001
   4    8    6  Nar  Car  Nar    120.001
   3    9    5  Npl  Car  Nar    119.998
   3    9    6  Npl  Car  Nar    120.001
   5    9    6  Nar  Car  Nar    120.001
   1   10   16  Npl   C3   HC     89.999
   1   10   32  Npl   C3   HC    179.974
   1   10   33  Npl   C3   HC     90.001
  16   10   32   HC   C3   HC     90.000
  16   10   33   HC   C3   HC    179.974
  32   10   33   HC   C3   HC     90.000
   1   11   29  Npl   C3   HC     90.000
   1   11   30  Npl   C3   HC    179.974
   1   11   31  Npl   C3   HC     90.000
  29   11   30   HC   C3   HC     90.000
  29   11   31   HC   C3   HC    179.974
  30   11   31   HC   C3   HC     90.000
   2   12   26  Npl   C3   HC     90.004
   2   12   27  Npl   C3   HC    179.974
   2   12   28  Npl   C3   HC     89.996
  26   12   27   HC   C3   HC     90.000
  26   12   28   HC   C3   HC    179.974
  27   12   28   HC   C3   HC     90.000
   2   13   23  Npl   C3   HC     90.000
   2   13   24  Npl   C3   HC    179.974
   2   13   25  Npl   C3   HC     90.000
  23   13   24   HC   C3   HC     90.000
  23   13   25   HC   C3   HC    179.974
  24   13   25   HC   C3   HC     90.000
   3   14   20  Npl   C3   HC     90.001
   3   14   21  Npl   C3   HC    179.974
   3   14   22  Npl   C3   HC     89.999
  20   14   21   HC   C3   HC     90.000
  20   14   22   HC   C3   HC    179.974
  21   14   22   HC   C3   HC     90.000
   3   15   17  Npl   C3   HC     89.996
   3   15   18  Npl   C3   HC    179.974
   3   15   19  Npl   C3   HC     90.004
  17   15   18   HC   C3   HC     90.000
  17   15   19   HC   C3   HC    179.974
  18   15   19   HC   C3   HC     90.000


TORSION ANGLES
  10    1    7    4    179.974
  10    1    7    5      0.026
  11    1    7    4      0.026
  11    1    7    5    179.974
   7    1   10   16      0.026
   7    1   10   32      0.026
   7    1   10   33    179.974
  11    1   10   16    179.974
  11    1   10   32    179.974
  11    1   10   33      0.026
   7    1   11   29    179.974
   7    1   11   30    180.000
   7    1   11   31      0.026
  10    1   11   29      0.026
  10    1   11   30    180.000
  10    1   11   31    179.974
  12    2    8    4    179.974
  12    2    8    6      0.026
  13    2    8    4      0.026
  13    2    8    6    179.974
   8    2   12   26    179.974
   8    2   12   27      0.026
   8    2   12   28      0.026
  13    2   12   26      0.026
  13    2   12   27    179.974
  13    2   12   28    179.974
   8    2   13   23      0.026
   8    2   13   24    180.000
   8    2   13   25    179.974
  12    2   13   23    179.974
  12    2   13   24    180.000
  12    2   13   25      0.026
  14    3    9    5    179.974
  14    3    9    6      0.026
  15    3    9    5      0.026
  15    3    9    6    179.974
   9    3   14   20      0.026
   9    3   14   21    179.974
   9    3   14   22    179.974
  15    3   14   20    179.974
  15    3   14   21      0.026
  15    3   14   22      0.026
   9    3   15   17    179.974
   9    3   15   18    179.974
   9    3   15   19      0.026
  14    3   15   17      0.026
  14    3   15   18      0.026
  14    3   15   19    179.974
   8    4    7    1    179.974
   8    4    7    5      0.026
   7    4    8    2    179.974
   7    4    8    6      0.026
   9    5    7    1    179.974
   9    5    7    4      0.026
   7    5    9    3    179.974
   7    5    9    6      0.026
   9    6    8    2    179.974
   9    6    8    4      0.026
   8    6    9    3    179.974
   8    6    9    5      0.026